4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide

C8H10BrN3OS — CID 172964290

IUPAC4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide
SMILESCN(C)/C=N\NC(=O)c1cc(Br)cs1
InChIInChI=1S/C8H10BrN3OS/c1-12(2)5-10-11-8(13)7-3-6(9)4-14-7/h3-5H,1-2H3,(H,11,13)/b10-5-
InChIKeyQMWZNRAUBJPMFY-YHYXMXQVSA-N
MW276.16 g/mol
LogP1.75
Rot. Bonds3

About 4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide

4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide (PubChem CID 172964290) has the molecular formula C8H10BrN3OS and a molecular weight of 276.16 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide
PubChem CID172964290
Molecular FormulaC8H10BrN3OS
Molecular Weight276.16 g/mol
Exact Mass274.97
IUPAC Name4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide
SMILESCN(C)/C=N\NC(=O)c1cc(Br)cs1
InChIInChI=1S/C8H10BrN3OS/c1-12(2)5-10-11-8(13)7-3-6(9)4-14-7/h3-5H,1-2H3,(H,11,13)/b10-5-
InChIKeyQMWZNRAUBJPMFY-YHYXMXQVSA-N
XLogP1.75
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 171131085
4-bromo-N-[(E)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 119056021
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110763463
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
4-bromo-N-cyclopropylthiophene-2-carboxamide
CID 110763428
N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 123676409
N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
CID 17173176
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide
CID 119585627
4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
CID 99695648
[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
ethyl 2-[(4-bromothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17020686

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide (CID 172964290) is 4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide is CN(C)/C=N\NC(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide?
The InChIKey is QMWZNRAUBJPMFY-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H10BrN3OS/c1-12(2)5-10-11-8(13)7-3-6(9)4-14-7/h3-5H,1-2H3,(H,11,13)/b10-5-.
What are the key properties of 4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide?
4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide has a molecular weight of 276.16 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 172964290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).